Basic information
- CAS
538-64-7- Standard SMILES
O=C(/C=C/C(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
CPZVJYPXOWWFSW-VAWYXSNFSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- Benzyl Fumarate
- IUPAC
- dibenzyl (E)-but-2-enedioate
- English name
- Benzylfumarate
- Molecular formula
- C18H16O4
- Molecular weight
- 296.32
Names & synonyms
Dibenzyl fumarateBenzyl fumarateBenzyl fumarate [MI]538-64-7K095ZNL0LQFumaric acid, dibenzyl esterUNII-K095ZNL0LQNSC-7577(2E)-2-Butenedioic acid 1,4-bis(phenylmethyl) ester2-Butenedioic acid (2E)-, 1,4-bis(phenylmethyl) esterRefChem:118870dibenzyl (E)-but-2-enedioate
Show more names
Fumaric acid dibenzyl ester4-oxo-4-phenylmethoxy-2-butenoate(E)-2-Butenedioic acid bis(phenylmethyl)ester2-Butenedioic acid(2E)-, 1,4-bis(phenylmethyl) ester
Maleic acid, dibenzyl esterSCHEMBL357565dibenzyl (2E)-2-butenedioateF97110SR-01000196544SR-01000196544-1Q27281774
Database identifiers
- CAS
538-64-7- PubChem CID
- 2829312
- ChEMBL
CHEMBL1771737- UNII
- K095ZNL0LQ
- Nikkaji
- J3.320.270I、J6.375D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 58.5 · 58.5-59.5°
- Boiling point
- 5 · bp5 210-211°
- Density
- 1.1874 · 1.1874 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- FDA UNII
- 95 ZNL0LQ · K095ZNL0LQ
Chemistry & industry
Applications
UsesIn room spray deodorant: Kulka, US 3077457 (1963 to Fritzsche Bros.).
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
4 records
Compound notes
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